| SpectraBase Compound ID | 2CXqDiEFP8m |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-17(7-6-12-25(2,3)31-30)20-8-9-21-19-16-24(29)23-15-18(28)10-13-27(23,5)22(19)11-14-26(20,21)4/h6,12,15,17,19-22,30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | QTGIEXCCAJYMHL-NGKGSRHYSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1r9W4HL6i9 |
|---|---|
| Name | 25-HYDROPEROXYCHOLESTA-4,23-(E)-DIENE-3,6-DIONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-17(7-6-12-25(2,3)31-30)20-8-9-21-19-16-24(29)23-15-18(28)10-13-27(23,5)22(19)11-14-26(20,21)4/h6,12,15,17,19-22,30H,7-11,13-14,16H2,1-5H3/b12-6+/t17-,19+,20-,21+,22+,26-,27-/m1/s1 |
| InChIKey | QTGIEXCCAJYMHL-NGKGSRHYSA-N |
| Literature Reference Author | J.H.SHEU,S.Y.HUANG,G.H.WANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,60,900(1997) |
| Literature Reference DOI | 10.1021/np9701844 |
| Molecular Weight | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU400 |